2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide

C25H21FN6O3 — CID 25065344

IUPAC2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnc(C(C)Oc4ccnc5cc(OC)ccc45)n3n2)cc1F
InChIInChI=1S/C25H21FN6O3/c1-14(35-22-10-11-28-21-13-16(34-3)5-7-18(21)22)24-30-29-23-9-8-20(31-32(23)24)15-4-6-17(19(26)12-15)25(33)27-2/h4-14H,1-3H3,(H,27,33)
InChIKeyIXSCGHQCYALZDO-UHFFFAOYSA-N
MW472.48 g/mol
LogP3.99
Rot. Bonds6

About 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide

2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide (PubChem CID 25065344) has the molecular formula C25H21FN6O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
PubChem CID25065344
Molecular FormulaC25H21FN6O3
Molecular Weight472.48 g/mol
Exact Mass472.17
IUPAC Name2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnc(C(C)Oc4ccnc5cc(OC)ccc45)n3n2)cc1F
InChIInChI=1S/C25H21FN6O3/c1-14(35-22-10-11-28-21-13-16(34-3)5-7-18(21)22)24-30-29-23-9-8-20(31-32(23)24)15-4-6-17(19(26)12-15)25(33)27-2/h4-14H,1-3H3,(H,27,33)
InChIKeyIXSCGHQCYALZDO-UHFFFAOYSA-N
XLogP3.99
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Amg-208
CID 24864821
Triazolopyridazine, 10f
CID 24824705
Triazolopyridazine, 10a
CID 24864822
4-((6-(3-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)-7-methoxyquinoline
CID 24864823
Triazolopyridazine, 10c
CID 24864824
Triazolopyridazine, 10d
CID 24864825
Triazolopyridazine, 10e
CID 24864993
Triazolopyridazine, 10g
CID 24864994
Triazolopyridazine, 10h
CID 24864995
Triazolopyridazine, 10n
CID 24865176
Triazolopyridazine, 10i
CID 24864996
3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The IUPAC name of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide (CID 25065344) is 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3nnc(C(C)Oc4ccnc5cc(OC)ccc45)n3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
The InChIKey is IXSCGHQCYALZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3/c1-14(35-22-10-11-28-21-13-16(34-3)5-7-18(21)22)24-30-29-23-9-8-20(31-32(23)24)15-4-6-17(19(26)12-15)25(33)27-2/h4-14H,1-3H3,(H,27,33).
What are the key properties of 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide?
2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide has a molecular weight of 472.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[1-(7-methoxyquinolin-4-yl)oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 25065344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).